ChemSpider 2D Image | N-({2-[(Ethylsulfonyl)amino]-4-methoxyphenyl}sulfonyl)-L-alanine | C12H18N2O7S2

N-({2-[(Ethylsulfonyl)amino]-4-methoxyphenyl}sulfonyl)-L-alanine

  • Molecular FormulaC12H18N2O7S2
  • Average mass366.410 Da
  • Monoisotopic mass366.055542 Da
  • ChemSpider ID54488128

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-Alanine, N-[[2-[(ethylsulfonyl)amino]-4-methoxyphenyl]sulfonyl]- [ACD/Index Name]
N-({2-[(Ethylsulfonyl)amino]-4-methoxyphenyl}sulfonyl)-L-alanin [German] [ACD/IUPAC Name]
N-({2-[(Ethylsulfonyl)amino]-4-methoxyphenyl}sulfonyl)-L-alanine [ACD/IUPAC Name]
N-({2-[(Éthylsulfonyl)amino]-4-méthoxyphényl}sulfonyl)-L-alanine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 578.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.3±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 82.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 249.0±3.0 cm3

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